SCHEMBL17680294

SCHEMBL17680294

c1ccc2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cn3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP1A2 P05177 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
DHFR P00374 1/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
AR P10275 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17680290 0.88 IDO1 (0.44) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL18272708 0.88 CYP11B1 (0.38) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL17680291 0.87 IDO1 (0.43) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL13682472 0.86 HSD17B1 (0.49) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL13682497 0.84 HSD17B1 (0.38) HSD17B1HSD17B2CYP1A2ERBB2FYN
SCHEMBL17680301 0.83 KDM4E (0.41) CYP1A2KDM4EALDH1A1HPGDNPC1
SCHEMBL17680300 0.83 CYP1A2 (0.47) HSD17B1HSD17B2CYP11B1CYP1A2ERBB2
SCHEMBL14849144 0.83 LDHA (0.45) HSD17B1HSD17B2CYP11B1CYP11B2NPC1
SCHEMBL2789566 0.83 GSTP1 (0.52) HSD17B1HSD17B2CYP1A2DHFRERBB2
SCHEMBL17680299 0.83 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2ERBB2FYN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9773983-B2 Organic light emitting diode device LG DISPLAY CO., LTD. (KR) 2017-09-26 US disclosed
US-9773983-B2 Organic light emitting diode device LG DISPLAY CO., LTD. (KR) 2017-09-26 US disclosed
US-20160104844-A1 ORGANIC LIGHT EMITTING DIODE DEVICE LG DISPLAY CO., LTD. (KR) 2016-04-14 US disclosed
US-20160104844-A1 ORGANIC LIGHT EMITTING DIODE DEVICE LG DISPLAY CO., LTD. (KR) 2016-04-14 US disclosed